1-(m-Methylbenzyl)piperazine dihydrochloride

C12H20Cl2N2 — CID 3014358

IUPAC1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
SMILESCC1=CC(=CC=C1)CN2CCNCC2.Cl.Cl
InChIInChI=1S/C12H18N2.2ClH/c1-11-3-2-4-12(9-11)10-14-7-5-13-6-8-14;;/h2-4,9,13H,5-8,10H2,1H3;2*1H
InChIKeyPCGNLSMZOLZUAD-UHFFFAOYSA-N
MW263.20 g/mol
LogP—
Rot. Bonds2

About 1-(m-Methylbenzyl)piperazine dihydrochloride

1-(m-Methylbenzyl)piperazine dihydrochloride (PubChem CID 3014358) has the molecular formula C12H20Cl2N2 and a molecular weight of 263.20 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(m-Methylbenzyl)piperazine dihydrochloride
PubChem CID3014358
Molecular FormulaC12H20Cl2N2
Molecular Weight263.20 g/mol
Exact Mass262.10
IUPAC Name1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
SMILESCC1=CC(=CC=C1)CN2CCNCC2.Cl.Cl
InChIInChI=1S/C12H18N2.2ClH/c1-11-3-2-4-12(9-11)10-14-7-5-13-6-8-14;;/h2-4,9,13H,5-8,10H2,1H3;2*1H
InChIKeyPCGNLSMZOLZUAD-UHFFFAOYSA-N
XLogP—
TPSA15.30 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity164

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(m-Methylbenzyl)piperazine dihydrochloride?
The IUPAC name of 1-(m-Methylbenzyl)piperazine dihydrochloride (CID 3014358) is 1-[(3-methylphenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-(m-Methylbenzyl)piperazine dihydrochloride?
The canonical SMILES for 1-(m-Methylbenzyl)piperazine dihydrochloride is CC1=CC(=CC=C1)CN2CCNCC2.Cl.Cl.
What is the InChIKey of 1-(m-Methylbenzyl)piperazine dihydrochloride?
The InChIKey is PCGNLSMZOLZUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.2ClH/c1-11-3-2-4-12(9-11)10-14-7-5-13-6-8-14;;/h2-4,9,13H,5-8,10H2,1H3;2*1H.
What are the key properties of 1-(m-Methylbenzyl)piperazine dihydrochloride?
1-(m-Methylbenzyl)piperazine dihydrochloride has a molecular weight of 263.20 g/mol, XLogP of not available, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(m-Methylbenzyl)piperazine dihydrochloride is sourced from PubChem (CID 3014358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).